(2,6-Dihydroxyphenyl)acetic acid
Basic information
- CAS
64700-73-8- Standard SMILES
O=C(O)Cc1c(O)cccc1O- InChIKey
CROCAQYJJNCZQH-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Overview
(2,6-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 2- and 6-positions. It is functionally related to an acetic acid. It is a conjugate acid of a (2,6-dihydroxyphenyl)acetate.
Names & identifiers
- Preferred name
- (2,6-Dihydroxyphenyl)acetic acid
- IUPAC
- 2-(2,6-dihydroxyphenyl)acetic acid
Names & synonyms
2-(2,6-dihydroxyphenyl)acetic acid(2,6-dihydroxyphenyl)acetic acid64700-73-82,6-DihydroxyphenylacetateResorcineisessigC06207CHEBI:952SCHEMBL9425062,6-Dihydroxybenzeneacetic acidDTXSID601303613Q27105381
Database identifiers
- CAS
64700-73-8- PubChem CID
- 440944
- DTXSID
DTXSID601303613- ChEBI
CHEBI:952- Nikkaji
- J2.367.889F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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